7-ethenyl-6H-chromeno[4,3-b]quinoline-3,9-diol

C18H13NO3 — CID 135438472

IUPAC7-ethenyl-6H-chromeno[4,3-b]quinoline-3,9-diol
SMILESC=Cc1c2c(nc3ccc(O)cc13)-c1ccc(O)cc1OC2
InChIInChI=1S/C18H13NO3/c1-2-12-14-7-10(20)4-6-16(14)19-18-13-5-3-11(21)8-17(13)22-9-15(12)18/h2-8,20-21H,1,9H2
InChIKeySDQIIVSWOGDEKO-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.85
Rot. Bonds1

About 7-ethenyl-6H-chromeno[4,3-b]quinoline-3,9-diol

7-ethenyl-6H-chromeno[4,3-b]quinoline-3,9-diol (PubChem CID 135438472) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 7-ethenyl-6H-chromeno[4,3-b]quinoline-3,9-diol.

Molecular Properties

Compound Name7-ethenyl-6H-chromeno[4,3-b]quinoline-3,9-diol
PubChem CID135438472
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name7-ethenyl-6H-chromeno[4,3-b]quinoline-3,9-diol
SMILESC=Cc1c2c(nc3ccc(O)cc13)-c1ccc(O)cc1OC2
InChIInChI=1S/C18H13NO3/c1-2-12-14-7-10(20)4-6-16(14)19-18-13-5-3-11(21)8-17(13)22-9-15(12)18/h2-8,20-21H,1,9H2
InChIKeySDQIIVSWOGDEKO-UHFFFAOYSA-N
XLogP3.85
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-6H-chromeno[4,3-b]quinoline-3,9-diol?
The IUPAC name of 7-ethenyl-6H-chromeno[4,3-b]quinoline-3,9-diol (CID 135438472) is 7-ethenyl-6H-chromeno[4,3-b]quinoline-3,9-diol.
What is the SMILES notation for 7-ethenyl-6H-chromeno[4,3-b]quinoline-3,9-diol?
The canonical SMILES for 7-ethenyl-6H-chromeno[4,3-b]quinoline-3,9-diol is C=Cc1c2c(nc3ccc(O)cc13)-c1ccc(O)cc1OC2.
What is the InChIKey of 7-ethenyl-6H-chromeno[4,3-b]quinoline-3,9-diol?
The InChIKey is SDQIIVSWOGDEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c1-2-12-14-7-10(20)4-6-16(14)19-18-13-5-3-11(21)8-17(13)22-9-15(12)18/h2-8,20-21H,1,9H2.
What are the key properties of 7-ethenyl-6H-chromeno[4,3-b]quinoline-3,9-diol?
7-ethenyl-6H-chromeno[4,3-b]quinoline-3,9-diol has a molecular weight of 291.31 g/mol, XLogP of 3.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-6H-chromeno[4,3-b]quinoline-3,9-diol is sourced from PubChem (CID 135438472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).